Molecule ID: mol16862

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccccc3OC)ccc12

InChI: InChI=1S/C27H28FN3O3/c1-32-25-11-8-20(28)16-19(25)18-29-13-5-14-30-23-12-15-31-24-17-21(9-10-22(23)24)34-27-7-4-3-6-26(27)33-2/h3-4,6-12,15-17,29H,5,13-14,18H2,1-2H3,(H,30,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.28 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization